Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | EGLN2 | Q96KS0 | 2/20 | 0.36 |
| ▸ | RORC | P51449 | 4/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | LEF1 | Q9UJU2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16137967 | 0.91 | MAPT (0.41) | CA12CA1CA9KDM4EATR | |
| SCHEMBL28895283 | 0.87 | CA12 (0.42) | CA12CA1CA9SYKEGLN2 | |
| SCHEMBL793197 | 0.85 | ATR (0.42) | CA12CA1CA9ATRMAPT | |
| SCHEMBL16236847 | 0.82 | CA12 (0.48) | CA12CA1CA9SYKEGLN2 | |
| SCHEMBL28895114 | 0.82 | ENPP2 (0.36) | CA12CA1CA9KDM4EATR | |
| SCHEMBL28895200 | 0.82 | SYK (0.36) | CA12CA1CA9KDM4EATR | |
| SCHEMBL17629762 | 0.81 | RARA (0.43) | CA12CA1CA9CYP3A4SYK | |
| SCHEMBL28895294 | 0.81 | RORC (0.35) | CA12CA1CA9KDM4EATR | |
| SCHEMBL3120908 | 0.81 | CA12 (0.48) | CA12CA1CA9KDM4EEGLN2 | |
| SCHEMBL28895300 | 0.80 | CA12 (0.43) | CA12CA1CA9SYKEGLN2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114315805-A | Aromatic ring-fused cyclic lactone thiohydantoin compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2022-04-12 | — | — | CN | disclosed |